N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O3S/c27-20(23-9-10-25-11-13-29-14-12-25)17-7-5-16(6-8-17)15-26-21(28)18-3-1-2-4-19(18)24-22(26)30/h1-4,16-17H,5-15H2,(H,23,27)(H,24,30)/p+1